KEGG   DRUG: Vidupiprant
Entry
D09990                      Drug                                   
Name
Vidupiprant (USAN/INN)
Formula
C28H27Cl2FN2O6S
Exact mass
608.0951
Mol weight
609.4932
Structure
Efficacy
Antiasthmatic, Prostaglandin D2 receptor antagonist
Comment
Treatment of asthma
Target
PTGDR [HSA:5729] [KO:K04332]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGDR
     D09990  Vidupiprant (USAN/INN)
Other DBs
CAS: 1169483-24-2
PubChem: 135626711
LigandBox: D09990
LinkDB
KCF data

ATOM        40
            1   C8x C    27.1068  -24.7317
            2   C8y C    27.1068  -26.1331
            3   C8x C    28.3204  -26.8338
            4   C8y C    29.5340  -26.1331
            5   C8y C    29.5340  -24.7317
            6   C8x C    28.3204  -24.0310
            7   O2a O    30.7664  -24.0200
            8   C8y C    31.9727  -24.7164
            9   C5a C    25.8932  -26.8338
            10  N1b N    24.6965  -26.1427
            11  O5a O    25.8931  -28.2349
            12  C1d C    23.5080  -26.8289
            13  C1a C    22.3156  -26.1402
            14  C1a C    23.5078  -28.2349
            15  C1a C    22.2944  -27.5295
            16  N1b N    30.7664  -26.8448
            17  S4a S    30.7664  -28.2461
            18  C8y C    29.5457  -28.9510
            19  C8x C    28.3357  -28.2525
            20  C8x C    27.1221  -28.9532
            21  C8y C    27.1221  -30.3546
            22  C8x C    28.3321  -31.0531
            23  C8y C    29.5457  -30.3524
            24  C1y C    25.9048  -31.0576
            25  C1x C    24.5034  -31.0576
            26  C1x C    25.2041  -32.2712
            27  O3c O    31.4670  -29.4597
            28  O3c O    32.1677  -28.2461
            29  C8x C    31.9731  -26.1327
            30  C8y C    33.1870  -26.8331
            31  C8y C    34.4004  -26.1320
            32  C8x C    34.4000  -24.7156
            33  C8y C    33.1861  -24.0153
            34  X   Cl   33.1859  -22.6298
            35  X   F    33.1874  -28.2350
            36  C1b C    35.6099  -26.8298
            37  C6a C    36.8028  -26.1403
            38  O6a O    37.9936  -26.8273
            39  O6a O    36.8024  -24.7319
            40  X   Cl   30.7627  -31.0551
BOND        43
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 1
            9     2   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 1
            14   12  14 1
            15   12  15 1
            16    4  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   18  23 2
            25   21  24 1
            26   24  25 1
            27   25  26 1
            28   26  24 1
            29   17  27 2
            30   17  28 2
            31    8  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36    8  33 2
            37   33  34 1
            38   30  35 1
            39   31  36 1
            40   36  37 1
            41   37  38 1
            42   37  39 2
            43   23  40 1

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